6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile

C25H20ClFN6O2 — CID 146465532

IUPAC6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile
SMILESCc1cc(Cl)cnc1N1CC(=O)N(Cc2ccc(F)cc2)C2(CN(c3ccc(C#N)cn3)C2)C1=O
InChIInChI=1S/C25H20ClFN6O2/c1-16-8-19(26)11-30-23(16)32-13-22(34)33(12-17-2-5-20(27)6-3-17)25(24(32)35)14-31(15-25)21-7-4-18(9-28)10-29-21/h2-8,10-11H,12-15H2,1H3
InChIKeyWQNGNCCHEMKGOL-UHFFFAOYSA-N
MW490.93 g/mol
LogP3.08
Rot. Bonds4

About 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile

6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile (PubChem CID 146465532) has the molecular formula C25H20ClFN6O2 and a molecular weight of 490.93 g/mol. Its IUPAC name is 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile
PubChem CID146465532
Molecular FormulaC25H20ClFN6O2
Molecular Weight490.93 g/mol
Exact Mass490.13
IUPAC Name6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile
SMILESCc1cc(Cl)cnc1N1CC(=O)N(Cc2ccc(F)cc2)C2(CN(c3ccc(C#N)cn3)C2)C1=O
InChIInChI=1S/C25H20ClFN6O2/c1-16-8-19(26)11-30-23(16)32-13-22(34)33(12-17-2-5-20(27)6-3-17)25(24(32)35)14-31(15-25)21-7-4-18(9-28)10-29-21/h2-8,10-11H,12-15H2,1H3
InChIKeyWQNGNCCHEMKGOL-UHFFFAOYSA-N
XLogP3.08
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.93
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile (CID 146465532) is 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile is Cc1cc(Cl)cnc1N1CC(=O)N(Cc2ccc(F)cc2)C2(CN(c3ccc(C#N)cn3)C2)C1=O.
What is the InChIKey of 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile?
The InChIKey is WQNGNCCHEMKGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN6O2/c1-16-8-19(26)11-30-23(16)32-13-22(34)33(12-17-2-5-20(27)6-3-17)25(24(32)35)14-31(15-25)21-7-4-18(9-28)10-29-21/h2-8,10-11H,12-15H2,1H3.
What are the key properties of 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile?
6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile has a molecular weight of 490.93 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-6,9-dioxo-2,5,8-triazaspiro[3.5]nonan-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 146465532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).